3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide;7-oxa-2-azaspiro[3.5]nonane

C54H65ClN12O6 — CID 159141247

About 3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide;7-oxa-2-azaspiro[3.5]nonane

3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide;7-oxa-2-azaspiro[3.5]nonane (PubChem CID 159141247) has the molecular formula C54H65ClN12O6 and a molecular weight of 1013.64 g/mol. Its IUPAC name is 3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide;7-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

• Compound Name: 3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide;7-oxa-2-azaspiro[3.5]nonane
• PubChem CID: 159141247
• Molecular Formula: C54H65ClN12O6
• Molecular Weight: 1013.64 g/mol
• Exact Mass: 1012.48
• IUPAC Name: 3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide;7-oxa-2-azaspiro[3.5]nonane
• SMILES: C1CC2(CCO1)CNC2.CNC(=O)c1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(Cl)nc3n2)c1.CNC(=O)c1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CC5(CCOCC5)C4)nc3n2)c1
• InChI: InChI=1S/C27H32N6O3.C20H20ClN5O2.C7H13NO/c1-18-15-36-13-10-33(18)24-21-6-7-22(19-4-3-5-20(14-19)25(34)28-2)29-23(21)30-26(31-24)32-16-27(17-32)8-11-35-12-9-27;1-12-11-28-9-8-26(12)18-15-6-7-16(23-17(15)24-20(21)25-18)13-4-3-5-14(10-13)19(27)22-2;1-3-9-4-2-7(1)5-8-6-7/h3-7,14,18H,8-13,15-17H2,1-2H3,(H,28,34);3-7,10,12H,8-9,11H2,1-2H3,(H,22,27);8H,1-6H2/t18-;12-;/m00./s1
• InChIKey: KICRRJPXJKFMDD-WLEOJCQLSA-N
• XLogP: 6.21
• TPSA: 194.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 7
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1013.64
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide;7-oxa-2-azaspiro[3.5]nonane?

The IUPAC name of 3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide;7-oxa-2-azaspiro[3.5]nonane (CID 159141247) is 3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide;7-oxa-2-azaspiro[3.5]nonane.

What is the SMILES notation for 3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide;7-oxa-2-azaspiro[3.5]nonane?

The canonical SMILES for 3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide;7-oxa-2-azaspiro[3.5]nonane is C1CC2(CCO1)CNC2.CNC(=O)c1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(Cl)nc3n2)c1.CNC(=O)c1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CC5(CCOCC5)C4)nc3n2)c1.

What is the InChIKey of 3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide;7-oxa-2-azaspiro[3.5]nonane?

The InChIKey is KICRRJPXJKFMDD-WLEOJCQLSA-N. The full InChI is InChI=1S/C27H32N6O3.C20H20ClN5O2.C7H13NO/c1-18-15-36-13-10-33(18)24-21-6-7-22(19-4-3-5-20(14-19)25(34)28-2)29-23(21)30-26(31-24)32-16-27(17-32)8-11-35-12-9-27;1-12-11-28-9-8-26(12)18-15-6-7-16(23-17(15)24-20(21)25-18)13-4-3-5-14(10-13)19(27)22-2;1-3-9-4-2-7(1)5-8-6-7/h3-7,14,18H,8-13,15-17H2,1-2H3,(H,28,34);3-7,10,12H,8-9,11H2,1-2H3,(H,22,27);8H,1-6H2/t18-;12-;/m00./s1.

What are the key properties of 3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide;7-oxa-2-azaspiro[3.5]nonane?

3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide;7-oxa-2-azaspiro[3.5]nonane has a molecular weight of 1013.64 g/mol, XLogP of 6.21, 7 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide;7-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 159141247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).